(1R,5S,6S,7R,10S,14S,16S)-14-[(E)-1-(2,5-dimethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,7,9,9-tetramethyl-6,10-bis(oxidanyl)-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione

Systemtic Name: (1R,5S,6S,7R,10S,14S,16S)-14-[(E)-1-(2,5-dimethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-5,7,9,9-tetramethyl-6,10-bis(oxidanyl)-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione Openeye Name: (1R,5S,6S,7R,10S,14S,16S)-14-[(E)-2-(2,5-dimethylthiazol-4-yl)-1-methyl-vinyl]-6,10-dihydroxy-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione CAS Name: (1R,5S,6S,7R,10S,14S,16S)-14-[(E)-1-(2,5-dimethyl-4-thiazolyl)prop-1-en-2-yl]-6,10-dihydroxy-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione IUPAC Name: (1R,5S,6S,7R,10S,14S,16S)-14-[(E)-1-(2,5-dimethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-6,10-dihydroxy-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione Traditional Name: (1R,5S,6S,7R,10S,14S,16S)-14-[(E)-2-(2,5-dimethylthiazol-4-yl)-1-methyl-vinyl]-6,10-dihydroxy-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-quinone Formula: C27H41NO6S MolecularWeight: 507.68254

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=C(SC(=N3)C)C)C

Isomeric SMILES

C[C@H]1CCC[C@@H]2[C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=C(SC(=N3)C)C)/C

InChI

InChI=1S/C27H41NO6S/c1-14-9-8-10-20-22(33-20)12-21(15(2)11-19-17(4)35-18(5)28-19)34-24(30)13-23(29)27(6,7)26(32)16(3)25(14)31/h11,14,16,20-23,25,29,31H,8-10,12-13H2,1-7H3/b15-11+/t14-,16+,20+,21-,22-,23-,25-/m0/s1